1.0 2020-03-04 19:08:00 UTC 2020-04-22 16:15:12 UTC BMDB0066969 BMDB66969 TG(20:0/i-12:0/a-17:0) 1-arachidoyl-2-isododecanoyl-3-anteisoheptadecanoyl-glycerol TG(20:0/i-12:0/a-17:0) TG(49:0) Tag(20:0/i-12:0/a-17:0) Tag(49:0) Triacylglycerol(20:0/i-12:0/a-17:0) Triacylglycerol(49:0) Triacylglycerol Triglyceride 1-eicosanoyl-2-isododecanoyl-3-anteisoheptadecanoyl-glycerol 1-arachidonyl-2-isododecanoyl-3-anteisoheptadecanoyl-glycerol Tracylglycerol(49:0) Tracylglycerol(20:0/i-12:0/a-17:0) C52H100O6 821.366 820.75199094 (2S)-3-[(14-methylhexadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propyl icosanoate (2S)-3-[(14-methylhexadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C InChI=1S/C52H100O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-26-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-28-30-35-40-47(3)4)46-57-51(54)43-38-33-27-24-21-20-22-25-31-36-41-48(5)7-2/h47-49H,6-46H2,1-5H3/t48?,49-/m0/s1 OLQGYPPBYGILPE-NGOJWKRASA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.45 ALOGPS logs -7.90 ALOGPS logp 19.05 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(14-methylhexadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propyl icosanoate ChemAxon average_mass 821.366 ChemAxon mono_mass 820.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C ChemAxon formula C52H100O6 ChemAxon inchi InChI=1S/C52H100O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-26-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-28-30-35-40-47(3)4)46-57-51(54)43-38-33-27-24-21-20-22-25-31-36-41-48(5)7-2/h47-49H,6-46H2,1-5H3/t48?,49-/m0/s1 ChemAxon inchikey OLQGYPPBYGILPE-NGOJWKRASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.79 ChemAxon polarizability 110.84 ChemAxon rotatable_bond_count 49 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 588922 Specdb::MsMs 588923 Specdb::MsMs 588924 Specdb::MsMs 932164 Specdb::MsMs 932165 Specdb::MsMs 932166 Specdb::MsMs 2428708 Specdb::MsMs 2428709 Specdb::MsMs 2428710 Specdb::MsMs 2507047 Specdb::MsMs 2507048 Specdb::MsMs 2507049 Specdb::MsMs 2586742 Specdb::MsMs 2586743 Specdb::MsMs 2586744 Specdb::MsMs 2613220 Specdb::MsMs 2613221 Specdb::MsMs 2613222 Specdb::MsMs 2687408 Specdb::MsMs 2687409 Specdb::MsMs 2687410 FDB035624 131771240